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2 similar compounds to monomer 63469

Compile data set for download or QSAR
Wt: 367.4
BDBM33783
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Wt: 381.4
BDBM96346
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 33783,96346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM33783
PNG
(1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylami...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C19H21N5OS/c1-4-24-13(3)20-16-11-14(7-10-17(16)24)18(25)22-23-19(26)21-15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3,(H,22,25)(H2,21,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96346
PNG
(MLS001018681 | N-[[(1-ethyl-2-methyl-benzimidazol-...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C19H19N5O2S/c1-3-24-12(2)20-15-11-14(9-10-16(15)24)18(26)22-23-19(27)21-17(25)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,26)(H2,21,23,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM96346
PNG
(MLS001018681 | N-[[(1-ethyl-2-methyl-benzimidazol-...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)NC(=O)c1ccccc1
Show InChI InChI=1S/C19H19N5O2S/c1-3-24-12(2)20-15-11-14(9-10-16(15)24)18(26)22-23-19(27)21-17(25)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,26)(H2,21,23,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM33783
PNG
(1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylami...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C19H21N5OS/c1-4-24-13(3)20-16-11-14(7-10-17(16)24)18(25)22-23-19(26)21-15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3,(H,22,25)(H2,21,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair